4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=1.796515675439654 stress="-65.05973955779096 -3.384314756100583 -0.8084713484081227 -3.384314756100583 -66.84252575413825 -5.419051629859457 -0.8084713484081227 -5.419051629859457 -68.10071272959264" pbc="F F F" Ta 0.26959405 0.17626233 -0.14597521 -19.50028879 -27.02447479 -33.79439229 Ta 1.70996341 1.49207130 0.15300231 26.12181490 26.50198165 -14.95944441 Ta 1.53848316 -0.04225341 1.41852158 16.05144082 -21.90667442 23.75834716 Ta -0.04210664 1.38825682 1.27041603 -22.67296692 22.42916755 24.99548954